3-fluoro-2-phthalazin-1-yloxyaniline

C14H10FN3O — CID 104832175

IUPAC3-fluoro-2-phthalazin-1-yloxyaniline
SMILESNc1cccc(F)c1Oc1nncc2ccccc12
InChIInChI=1S/C14H10FN3O/c15-11-6-3-7-12(16)13(11)19-14-10-5-2-1-4-9(10)8-17-18-14/h1-8H,16H2
InChIKeyMSHGAZWRGBPMNW-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.14
Rot. Bonds2

About 3-fluoro-2-phthalazin-1-yloxyaniline

3-fluoro-2-phthalazin-1-yloxyaniline (PubChem CID 104832175) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is 3-fluoro-2-phthalazin-1-yloxyaniline.

Molecular Properties

Compound Name3-fluoro-2-phthalazin-1-yloxyaniline
PubChem CID104832175
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name3-fluoro-2-phthalazin-1-yloxyaniline
SMILESNc1cccc(F)c1Oc1nncc2ccccc12
InChIInChI=1S/C14H10FN3O/c15-11-6-3-7-12(16)13(11)19-14-10-5-2-1-4-9(10)8-17-18-14/h1-8H,16H2
InChIKeyMSHGAZWRGBPMNW-UHFFFAOYSA-N
XLogP3.14
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Phthalazine, 1-phenoxy-
CID 613554
Phthalazine, 1-ethoxy-
CID 3021739
N-(3,4-difluorophenyl)-2-phthalazin-1-yloxyacetamide
CID 2557681
1-(2-Fluorophenoxy)-4-methylphthalazine
CID 2998081
1-(4-Methoxyphenoxy)phthalazine
CID 6410688
Benzenamine, 4-(1-phthalazinyloxy)-
CID 6410689
Phthalazine, 1-(phenylmethoxy)-
CID 6410693
Phthalazine, 1-(4-fluorophenoxy)-
CID 6410697
4-Phenoxycinnoline
CID 21991035
1-(3-Fluorophenoxy)-4-methylphthalazine
CID 20971235
1-(4-Fluorophenoxy)-4-methylphthalazine
CID 20971236
2,2-difluoro-N-(4-phthalazin-1-yloxyphenyl)acetamide
CID 99842608

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-phthalazin-1-yloxyaniline?
The IUPAC name of 3-fluoro-2-phthalazin-1-yloxyaniline (CID 104832175) is 3-fluoro-2-phthalazin-1-yloxyaniline.
What is the SMILES notation for 3-fluoro-2-phthalazin-1-yloxyaniline?
The canonical SMILES for 3-fluoro-2-phthalazin-1-yloxyaniline is Nc1cccc(F)c1Oc1nncc2ccccc12.
What is the InChIKey of 3-fluoro-2-phthalazin-1-yloxyaniline?
The InChIKey is MSHGAZWRGBPMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c15-11-6-3-7-12(16)13(11)19-14-10-5-2-1-4-9(10)8-17-18-14/h1-8H,16H2.
What are the key properties of 3-fluoro-2-phthalazin-1-yloxyaniline?
3-fluoro-2-phthalazin-1-yloxyaniline has a molecular weight of 255.25 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-phthalazin-1-yloxyaniline is sourced from PubChem (CID 104832175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).